PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2,3,4,5-tetramethylbenzoic acid   1189 2,3,4,5-Tetramethylbenzoic acid

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    #  Species Formula
  1179 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1180 3,4,5-Trimethylbenzoic acidC10H12O2
  1181 3-Isopropyl benzoic acidC10H12O2
  1182 4-Isopropyl benzoic acidC10H12O2
  1183 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1184 Cyclohexyl butanoateC10H18O2
  1185 Ethyl octanoateC10H20O2
  1186 1,10-DecanediolC10H22O2
  1187 1-Naphthoic acidC11H8O2
  1188 Isonaphthoic acidC11H8O2
  1189 2,3,4,5-Tetramethylbenzoic acid C11H14O2
  1190 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1191 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1192 p-tert-Butyl benzoic acidC11H14O2
  1193 Oxacyclododecan-2-oneC11H20O2
  1194 Ethyl nonanoateC11H22O2
  1195 1,1-DibutoxypropaneC11H24O2
  1196 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1197 Pentamethylbenzoic acidC12H16O2
  1198 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1199 Ethyl decanoateC12H24O2


ΔHf: -95.3 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2,3,4,5-Tetramethylbenzoic acid
 H=-95.29 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39829349 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40871067 +1  119.0039839 +1    0.0000000 +0     2     1     0
  C     1.39908545 +1  120.2944771 +1    3.5372684 +1     3     2     1
  C     1.40654177 +1  119.9149516 +1   -3.0089105 +1     4     3     2
  C     1.38858019 +1  119.7246448 +1    0.4714700 +1     5     4     3
  C     1.46952744 +1  121.9256042 +1  178.4381706 +1     1     2     3
  O     1.36492833 +1  110.7120779 +1 -148.8183341 +1     7     1     2
  O     1.20560600 +1  130.3349935 +1   32.0792144 +1     7     1     2
  C     1.49340779 +1  122.1071641 +1  176.6137444 +1     4     3     2
  C     1.49222799 +1  121.0824128 +1 -179.1814243 +1     5     4     3
  C     1.49530482 +1  118.9257318 +1 -176.3946468 +1     3     2     1
  C     1.49039519 +1  120.9001204 +1 -179.2275706 +1     2     1     3
  H     1.09291394 +1  120.0698660 +1 -178.5449797 +1     6     5     4
  H     0.98830427 +1  112.9693579 +1 -179.2249221 +1     8     7     1
  H     1.10058005 +1  111.0268330 +1  116.7115644 +1    10     4     3
  H     1.09710823 +1  113.8083186 +1   -4.1171608 +1    10     4     3
  H     1.10109469 +1  111.0057328 +1 -123.9530666 +1    10     4     3
  H     1.09992005 +1  111.4793562 +1  -59.0049082 +1    11     5     4
  H     1.09894485 +1  112.5677917 +1 -179.0535200 +1    11     5     4
  H     1.10005529 +1  111.3105289 +1   60.9978825 +1    11     5     4
  H     1.09848168 +1  112.7783787 +1  155.2831708 +1    12     3     2
  H     1.09974244 +1  112.0797488 +1   36.3216497 +1    12     3     2
  H     1.10016600 +1  110.8790439 +1  -84.1601553 +1    12     3     2
  H     1.10026984 +1  111.0012416 +1   93.0526006 +1    13     2     1
  H     1.10392408 +1  113.0152897 +1  -26.9364286 +1    13     2     1
  H     1.09891776 +1  112.5688263 +1 -145.9366363 +1    13     2     1